N-(4-methylphenyl)sulfonylnaphthalene-1-carboxamide

C18H15NO3S — CID 975635

IUPACN-(4-methylphenyl)sulfonylnaphthalene-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C18H15NO3S/c1-13-9-11-15(12-10-13)23(21,22)19-18(20)17-8-4-6-14-5-2-3-7-16(14)17/h2-12H,1H3,(H,19,20)
InChIKeyYCZRSBKBLHECLY-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.27
Rot. Bonds3

About N-(4-methylphenyl)sulfonylnaphthalene-1-carboxamide

N-(4-methylphenyl)sulfonylnaphthalene-1-carboxamide (PubChem CID 975635) has the molecular formula C18H15NO3S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-(4-methylphenyl)sulfonylnaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)sulfonylnaphthalene-1-carboxamide
PubChem CID975635
Molecular FormulaC18H15NO3S
Molecular Weight325.39 g/mol
Exact Mass325.08
IUPAC NameN-(4-methylphenyl)sulfonylnaphthalene-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C18H15NO3S/c1-13-9-11-15(12-10-13)23(21,22)19-18(20)17-8-4-6-14-5-2-3-7-16(14)17/h2-12H,1H3,(H,19,20)
InChIKeyYCZRSBKBLHECLY-UHFFFAOYSA-N
XLogP3.27
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)sulfonylnaphthalene-1-carboxamide?
The IUPAC name of N-(4-methylphenyl)sulfonylnaphthalene-1-carboxamide (CID 975635) is N-(4-methylphenyl)sulfonylnaphthalene-1-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)sulfonylnaphthalene-1-carboxamide?
The canonical SMILES for N-(4-methylphenyl)sulfonylnaphthalene-1-carboxamide is Cc1ccc(S(=O)(=O)NC(=O)c2cccc3ccccc23)cc1.
What is the InChIKey of N-(4-methylphenyl)sulfonylnaphthalene-1-carboxamide?
The InChIKey is YCZRSBKBLHECLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3S/c1-13-9-11-15(12-10-13)23(21,22)19-18(20)17-8-4-6-14-5-2-3-7-16(14)17/h2-12H,1H3,(H,19,20).
What are the key properties of N-(4-methylphenyl)sulfonylnaphthalene-1-carboxamide?
N-(4-methylphenyl)sulfonylnaphthalene-1-carboxamide has a molecular weight of 325.39 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)sulfonylnaphthalene-1-carboxamide is sourced from PubChem (CID 975635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).